SCHEMBL7978501

SCHEMBL7978501

CCN(CC)C(=O)Oc1c(-c2ccc(N3CCCCC3=O)cc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
GRK6 P43250 1/20 0.32
CXCR3 P49682 1/20 0.32
F2 P00734 1/20 0.32
SLC29A1 Q99808 1/20 0.32
SYK P43405 2/20 0.31
TNIK Q9UKE5 1/20 0.31
BRD4 O60885 2/20 0.31
PHGDH O43175 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12758113 0.90 SIRT2 (0.36) F10SIRT2SIRT1GALR3LMNA
SCHEMBL10140040 0.86 CHEK2 (0.34) SIRT2SIRT1BRD4
SCHEMBL10140047 0.83 F10 (0.40) F10SIRT2SIRT1GALR3LMNA
SCHEMBL7960714 0.83 CHEK2 (0.39)
SCHEMBL7966289 0.82 F10 (0.39) F10SIRT2SIRT1GALR3LMNA
SCHEMBL10140004 0.82 SCD (0.36)
SCHEMBL7975823 0.82 HDAC3 (0.43) SIRT2SIRT1
SCHEMBL10140006 0.81 CHEK2 (0.38) SIRT2SIRT1
SCHEMBL16258986 0.81 TSPO (0.30)
SCHEMBL10140048 0.81 F10 (0.38) F10GALR3LMNATSHRHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 F10 11/4885SIRT2 988/4885SIRT1 643/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.